pyrazin-2-ylmethanamine hydrochloride

• ChemBase ID: 293861
• Molecular Formular: C5H8ClN3
• Molecular Mass: 145.59012
• Monoisotopic Mass: 145.04067495
• SMILES: NCc1nccnc1.Cl
• Canonical SMILES: NCc1cnccn1.Cl
• InChI: InChI=1S/C5H7N3.ClH/c6-3-5-4-7-1-2-8-5;/h1-2,4H,3,6H2;1H
• InChIKey: FVGCPPSBZHDZPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pyrazin-2-ylmethanamine hydrochloride; (pyrazin-2-yl)methanamine hydrochloride
• IUPAC Traditional name: pyrazin-2-ylmethanamine hydrochloride
• Synonyms: (Pyrazin-2-yl)methanamine hydrochloride; C-Pyrazin-2-ylmethylamine HCl

Database IDs

• CAS Number: 39204-49-4
• MDL Number: MFCD09878721
• PubChem SID: 180679392
• PubChem CID: 21265794

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.8208058
• LogD (pH = 7.4): -2.1558542
• Log P: -1.2548587
• Molar Refractivity: 29.6954 cm^3
• Polarizability: 11.897278 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%